4-fluoro-2-methyl-2,3-dihydro-1H-pyrrole

C5H8FN — CID 146392631

IUPAC4-fluoro-2-methyl-2,3-dihydro-1H-pyrrole
SMILESCC1CC(F)=CN1
InChIInChI=1S/C5H8FN/c1-4-2-5(6)3-7-4/h3-4,7H,2H2,1H3
InChIKeyWYIXJIZNOJOLGI-UHFFFAOYSA-N
MW101.12 g/mol
LogP1.18
Rot. Bonds

About 4-fluoro-2-methyl-2,3-dihydro-1H-pyrrole

4-fluoro-2-methyl-2,3-dihydro-1H-pyrrole (PubChem CID 146392631) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is 4-fluoro-2-methyl-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name4-fluoro-2-methyl-2,3-dihydro-1H-pyrrole
PubChem CID146392631
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name4-fluoro-2-methyl-2,3-dihydro-1H-pyrrole
SMILESCC1CC(F)=CN1
InChIInChI=1S/C5H8FN/c1-4-2-5(6)3-7-4/h3-4,7H,2H2,1H3
InChIKeyWYIXJIZNOJOLGI-UHFFFAOYSA-N
XLogP1.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-2,3-dihydro-1H-pyrrole?
The IUPAC name of 4-fluoro-2-methyl-2,3-dihydro-1H-pyrrole (CID 146392631) is 4-fluoro-2-methyl-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 4-fluoro-2-methyl-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 4-fluoro-2-methyl-2,3-dihydro-1H-pyrrole is CC1CC(F)=CN1.
What is the InChIKey of 4-fluoro-2-methyl-2,3-dihydro-1H-pyrrole?
The InChIKey is WYIXJIZNOJOLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN/c1-4-2-5(6)3-7-4/h3-4,7H,2H2,1H3.
What are the key properties of 4-fluoro-2-methyl-2,3-dihydro-1H-pyrrole?
4-fluoro-2-methyl-2,3-dihydro-1H-pyrrole has a molecular weight of 101.12 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 146392631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).